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	hartrees
Energy at 0K	-155.586170
Energy at 298.15K
HF Energy	-154.926937
Nuclear repulsion energy	108.323578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3318	3157	0.69	118.85	0.28	0.43
2	A'	3174	3020	10.91	73.32	0.73	0.84
3	A'	3099	2949	59.95	144.32	0.13	0.23
4	A'	3073	2924	18.65	208.20	0.01	0.02
5	A'	1835	1746	10.97	35.00	0.13	0.23
6	A'	1540	1466	4.62	10.47	0.38	0.55
7	A'	1497	1425	9.33	10.64	0.60	0.75
8	A'	1409	1341	0.11	3.72	0.64	0.78
9	A'	1200	1142	3.50	7.02	0.35	0.52
10	A'	1089	1036	1.48	4.88	0.09	0.17
11	A'	1066	1014	33.60	1.04	0.15	0.26
12	A'	991	943	5.61	9.11	0.22	0.36
13	A'	947	901	13.55	4.72	0.40	0.57
14	A'	681	648	0.59	13.20	0.57	0.73
15	A'	320	304	1.68	1.52	0.75	0.85
16	A"	3178	3024	33.76	89.46	0.75	0.86
17	A"	3150	2997	9.57	70.82	0.75	0.86
18	A"	1495	1422	8.37	7.30	0.75	0.86
19	A"	1131	1076	1.38	0.82	0.75	0.86
20	A"	1054	1003	0.05	1.99	0.75	0.86
21	A"	1001	953	2.29	3.13	0.75	0.86
22	A"	729	694	32.12	0.47	0.75	0.86
23	A"	290	276	12.77	0.43	0.75	0.86
24	A"	163	155	0.37	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.180	0.000
C2	-0.051	-1.327	0.000
C3	1.155	-0.418	0.000
C4	-0.836	1.394	0.000
H5	-0.323	-1.850	0.912
H6	-0.323	-1.850	-0.912
H7	2.227	-0.376	0.000
H8	-0.225	2.294	0.000
H9	-1.482	1.405	-0.877
H10	-1.482	1.405	0.877

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.5083	1.3000	1.4735	2.2489	2.2489	2.2958	2.1257	2.1136	2.1136
C2	1.5083		1.5103	2.8320	1.0860	1.0860	2.4689	3.6254	3.2070	3.2070
C3	1.3000	1.5103		2.6909	2.2511	2.2511	1.0737	3.0420	3.3231	3.3231
C4	1.4735	2.8320	2.6909		3.4082	3.4082	3.5376	1.0878	1.0899	1.0899
H5	2.2489	1.0860	2.2511	3.4082		1.8246	3.0836	4.2441	3.8912	3.4554
H6	2.2489	1.0860	2.2511	3.4082	1.8246		3.0836	4.2441	3.4554	3.8912
H7	2.2958	2.4689	1.0737	3.5376	3.0836	3.0836		3.6253	4.2075	4.2075
H8	2.1257	3.6254	3.0420	1.0878	4.2441	4.2441	3.6253		1.7721	1.7721
H9	2.1136	3.2070	3.3231	1.0899	3.8912	3.4554	4.2075	1.7721		1.7549
H10	2.1136	3.2070	3.3231	1.0899	3.4554	3.8912	4.2075	1.7721	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	51.018	H1	C2	C6	119.296
C2	C3	C6	24.872	C2	C3	C10	72.373
C2	C6	C3	35.797	C2	C6	H4	49.828
C2	C6	H5	32.852	C3	C2	C6	119.331
C3	C6	H4	52.022	C3	C6	H5	66.091
C3	C10	H7	9.338	C3	C10	H8	65.256
C3	C10	H9	74.690	H4	C6	H5	74.474
C6	C3	C10	86.287	H7	C10	H8	58.909
H7	C10	H9	77.963	H8	C10	H9	60.321

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)

using model chemistry: MP2/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H6 (1-Methylcyclopropene)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₆ (1-Methylcyclopropene)